Geometry & MOs

Info

ID:

45086

PubChem CID:

10507857

Reduced:

F3N4O7C29H31 (1)

Stoich.:

A3B4C7D29E31 (1)

Weight, g/mol:

604.246876

ΔHf, kcal/mol:

-402.8

Dipole, Da:

3.62

IP(EA), eV:

 -9.37(-1.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3'aS,4R,7'R,7'aS)-2,2,2',2'-tetramethylspiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-7'-yl] (2Z)-2-(1-diethoxyphosphoryloxyethylidene)-6-trimethylsilylhex-5-ynoate

Drug info:

PubChemData

Smile

CCOC(=O)CC[C@@H](C(=O)OCC)NC(=O)C1=CC=C(C=C1)CNC2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2C(=O)OCC

DOS

IR

Vibrations